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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 4 (CXCR4)' and Ligand = 'BDBM50316633'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50316633
PNG
((S)-N-((4-(3-(dimethylamino)propyl)isoquinolin-3-y...)
Show SMILES CN(C)CCCc1c(CN(C)[C@H]2CCCc3cccnc23)ncc2ccccc12
Show InChI InChI=1S/C25H32N4/c1-28(2)16-8-13-22-21-12-5-4-9-20(21)17-27-23(22)18-29(3)24-14-6-10-19-11-7-15-26-25(19)24/h4-5,7,9,11-12,15,17,24H,6,8,10,13-14,16,18H2,1-3H3/t24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR4 expressed in HEK293 cells


Bioorg Med Chem Lett 20: 3026-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.118
BindingDB Entry DOI: 10.7270/Q2J67H2D
More data for this
Ligand-Target Pair